BioLiP

PDB

BioLiP

PDB CCD ID:

F1T

Number of entries in BioLiP:

Chemical formula:

C14 H11 F3 N4 O

InChI:

InChI=1S/C14H11F3N4O/c1-7-11-12(18-8(2)19-13(11)22-21-7)20-10-5-3-9(4-6-10)14(15,16)17/h3-6H,1-2H3,(H,18,19,20)

InChIKey:

DICIXXZXANPVKT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F
CACTVS 3.385	Cc1nc(Nc2ccc(cc2)C(F)(F)F)c3c(C)noc3n1

Name:

3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).